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PDB Entry (4jnn) Download |
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Visualizer: MichelaNGLo |
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| PDB ID: 4jnn | Resolution: 2.35 Å | Exp. Method: X-RAY DIFFRACTION |
| PMID: - | DOI: None | |
Protein |
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| Protein Name: Transcriptional regulator | |
| Protein Class: TRANSCRIPTION REGULATOR | |
| Uniprot ID/ACC: C7MT25 (C7MT25_SACVD) | Organism: Saccharomonospora viridis |
| Gene Symbol: - | Gene ID: - |
Pocket Descriptors | |
| Volume: 691.136 | Depth: 19.1207 |
| Hydrophobicity: 0.741758 | Drug Score: 0.642094 |
| Pocket Similarity: Calculate | |
Ligand |
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| Ligand Name: BENZAMIDINE | ||
| HET ID: BEN | PubChem: 2332 | |
| DrugBank: - | ChEMBL: CHEMBL20936 | |
| Canonical SMILES: NC(=N)c1ccccc1 | ||
| Standard InChI: InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9) | ||
| Molecular Formula: C7H8N2 | Mol. Weight: 120.15182 | Heavy Atoms: 9 |
| Charge: 0 | Is Chiral: False | logP: 1.7707 |
| HBD: 2 | HBA: 2 | TPSA: 49.87 |
| #Bonds: 9 | #Rotatable Bonds: 1 | Shape Complexity: 0.0 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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